![Benzyl-[3-(12-hydroxyoctadec-9-enoylamino)propyl]-dimethylazanium chloride structure](/static/products/7074/70748-80-0.webp)
Benzyl-[3-(12-hydroxyoctadec-9-enoylamino)propyl]-dimethylazanium chloride
TL;DR: Benzyl-[3-(12-hydroxyoctadec-9-enoylamino)propyl]-dimethylazanium chloride (CAS 70748-80-0) is a chemical compound with molecular formula C30H53ClN2O2 and molecular weight 508.38 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl-[3-(12-hydroxyoctadec-9-enoylamino)propyl]-dimethylazanium chloride
Also Known As: Benzyl-[3-[[(E)-12-hydroxyoctadec-9-enoyl]amino]propyl]-dimethyl-azanium Chloride, Benzenemethanaminium, N-(3-(((9Z,12R)-12-hydroxy-1-oxo-9-octadecen-1-yl)amino)propyl)-N,N-dimethyl-, chloride (1:1), Benzenemethanaminium, N-(3-(((9Z,12R)-12-hydroxy-1-oxo-9-octadecenyl)amino)propyl)-N,N-dimethyl-, chloride, Benzenemethanaminium, N-[3-[(12-hydroxy-1-oxo-9-octadecenyl)amino]propyl]-N,N-dimethyl-, chloride, [R-(Z)]-, Benzenemethanaminium, N-[3-[[(9Z,12R)-12-hydroxy-1-oxo-9-octadecenyl]amino]propyl]-N,N-dimethyl-, chloride
| Molecular Formula | C30H53ClN2O2 |
|---|---|
| Molecular Weight | 508.38 g/mol |
| LogP | 3.78 |
| Topological Polar Surface Area | 49.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 21 |
| Exact Mass | 508.37955 |
| Heavy Atoms | 35 |
| Complexity | 512.0 |
Chemical Identifiers
| CAS Number | 70748-80-0 |
|---|---|
| SMILES | CCCCCCC(CC=CCCCCCCCC(=O)NCCC[N+](C)(C)CC1=CC=CC=C1)O.[Cl-] |
| InChIKey | WOCCXUPQKZYAIW-UHFFFAOYSA-N |
Product Overview
Benzyl-[3-(12-hydroxyoctadec-9-enoylamino)propyl]-dimethylazanium chloride (CAS 70748-80-0), with molecular formula C30H53ClN2O2 and molecular weight 508.38 g/mol. IUPAC: benzyl-[3-(12-hydroxyoctadec-9-enoylamino)propyl]-dimethylazanium chloride.
Chemical Property Profile of Benzyl-[3-(12-hydroxyoctadec-9-enoylamino)propyl]-dimethylazanium chloride
Property Insights of Benzyl-[3-(12-hydroxyoctadec-9-enoylamino)propyl]-dimethylazanium chloride
The XLogP value of 3.78 indicates that Benzyl-[3-(12-hydroxyoctadec-9-enoylamino)propyl]-dimethylazanium chloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.3 Ų, Benzyl-[3-(12-hydroxyoctadec-9-enoylamino)propyl]-dimethylazanium chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzyl-[3-(12-hydroxyoctadec-9-enoylamino)propyl]-dimethylazanium chloride has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzyl-[3-(12-hydroxyoctadec-9-enoylamino)propyl]-dimethylazanium chloride?
The CAS number of Benzyl-[3-(12-hydroxyoctadec-9-enoylamino)propyl]-dimethylazanium chloride is 70748-80-0.
What is the molecular formula of Benzyl-[3-(12-hydroxyoctadec-9-enoylamino)propyl]-dimethylazanium chloride?
The molecular formula of Benzyl-[3-(12-hydroxyoctadec-9-enoylamino)propyl]-dimethylazanium chloride is C30H53ClN2O2.
What is the molecular weight of Benzyl-[3-(12-hydroxyoctadec-9-enoylamino)propyl]-dimethylazanium chloride?
The molecular weight of Benzyl-[3-(12-hydroxyoctadec-9-enoylamino)propyl]-dimethylazanium chloride is 508.38 g/mol.
Where can I buy Benzyl-[3-(12-hydroxyoctadec-9-enoylamino)propyl]-dimethylazanium chloride?
You can request a quote for Benzyl-[3-(12-hydroxyoctadec-9-enoylamino)propyl]-dimethylazanium chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl-[3-(12-hydroxyoctadec-9-enoylamino)propyl]-dimethylazanium chloride?
Yes, KEHONG BIO provides custom synthesis services for Benzyl-[3-(12-hydroxyoctadec-9-enoylamino)propyl]-dimethylazanium chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.